Structure of PDB 1nzy Chain B

Receptor sequence

>1nzyB (length=269) Species: 72586 (Pseudomonas sp. CBS3)

MYEAIGHRVEDGVAEITIKLPRHRNALSVKAMQEVTDALNRAEEDDSVGA
VMITGAEDAFCAGFYLREIPLDKGVAGVRDHFRIAALWWHQMIHKIIRVK
RPVLAAINGVAAGGGLGISLASDMAICADSAKFVCAWHTIGIGNDTATSY
SLARIVGMRRAMELMLTDRTLYPEEAKDWGLVSRVYPKDEFREVAWKVAR
ELAAAPTHLQVMAKERFHAGWMQPVEECTEFEIQNVIASVTHPHFMPCLT
RFLDGHRADRPQVELPAGV

3D structure

• PDB: 1nzy Structure of 4-chlorobenzoyl coenzyme A dehalogenase determined to 1.8 A resolution: an enzyme catalyst generated via adaptive mutation.
• Chain: B
• Resolution: 1.8 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): C61 F64 I69 A86 H90 G114 G117 A136 W137 I142 N144 D145 E230
• Catalytic site (residue number reindexed from 1): C61 F64 I69 A86 H90 G114 G117 A136 W137 I142 N144 D145 E230
• Enzyme Commision number: 3.8.1.7: 4-chlorobenzoyl-CoA dehalogenase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	BCA	B	F252 R257	F252 R257	MOAD: Kd=2uM
BS02	CA	B	G49 L202 A203 A205 T207 Q210	G49 L202 A203 A205 T207 Q210
BS03	PO4	B	E57 N108 K188 R192	E57 N108 K188 R192
BS04	BCA	B	R22 H23 R24 A62 F64 Y65 L66 R67 W89 G113 G114 A136 W137 D145 T146	R22 H23 R24 A62 F64 Y65 L66 R67 W89 G113 G114 A136 W137 D145 T146	MOAD: Kd=2uM

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0016787 hydrolase activity
• GO:0018787 4-chlorobenzoyl-CoA dehalogenase activity

Biological Process

• GO:0015936 coenzyme A metabolic process

External links

• PDB: RCSB:1nzy, PDBe:1nzy, PDBj:1nzy
• PDBsum: 1nzy
• PubMed: 8679561
• UniProt: A5JTM5|CBADH_PSEUC 4-chlorobenzoyl coenzyme A dehalogenase